Vitas-M small molecule compound

(1S,2S,3aR)-2-(3-iodophenyl)-1-(phenylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Catalog ID
STK746472
SMILES N#CC1(C#N)[C@H](c2cccc(c2)I)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)c1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C27H18IN3O MW 527.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18IN3O/c28-21-11-6-10-20(15-21)24-25(26(32)19-8-2-1-3-9-19)31-22-12-5-4-7-18(22)13-14-23(31)27(24,16-29)17-30/h1-15,23-25H/t23-,24-,25+/m1/s1
InChIKey
QPZMWZRJXBVCBG-SDHSZQHLSA-N
Synonyms
293293-48-8
(1S2S3aR)1benzoyl2(3iodophenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3AR)1BENZOYL2(3IODOPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2S3aR)2(3iodophenyl)1(phenylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
293293488
C1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC(=CC=C5)I
InChI=1SC27H18IN3Oc28211161020(1521)2425(26(32)198213919)31221254718(22)131423(31)27(241629)1730h1152325Ht232425+m1s1
MFCD13372003
N#CC1(C#N)(C@H)(c2cccc(c2)I)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)c1ccccc1
ZINC000097949504
ZINC97949504

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Available files

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